SCHEMBL28375045

SCHEMBL28375045

c1ccc(-c2nccc(-c3cccc4c3[nH]c3ccccc34)c2-c2cccc3c2[nH]c2ccccc23)cc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 11/20 0.65
▸ HTR2B P41595 3/20 0.65
▸ HTR5A P47898 3/20 0.65
▸ BCHE P06276 2/20 0.56
▸ IDO1 P14902 5/20 0.52
▸ NQO2 P16083 1/20 0.51
▸ HTR2C P28335 1/20 0.49
▸ CCNB2 O95067 1/20 0.47
▸ CDK1 P06493 1/20 0.47
▸ CCNB1 P14635 1/20 0.47
▸ CCNA2 P20248 1/20 0.47
▸ CDK2 P24941 1/20 0.47
▸ CCNA1 P78396 1/20 0.47
▸ CDK5 Q00535 1/20 0.47
▸ CDK5R1 Q15078 1/20 0.47
▸ CCNB3 Q8WWL7 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3133995 0.85 TDO2 (0.66) TDO2HTR2BHTR5ABCHEIDO1
SCHEMBL29985742 0.84 TDO2 (0.61) TDO2HTR2BHTR5ABCHEIDO1
SCHEMBL51675 0.81 PARP14 (0.49) TDO2HTR2BHTR5A
SCHEMBL30021001 0.80 PARP14 (0.48) TDO2HTR2BHTR5A
SCHEMBL24105915 0.79 TDO2 (1.00) TDO2HTR2BHTR5ABCHEIDO1
SCHEMBL30431392 0.79 TDO2 (1.00) TDO2HTR2BHTR5ABCHEIDO1
SCHEMBL16763182 0.79 TDO2 (0.61) TDO2HTR2BHTR5ABCHEIDO1
SCHEMBL38651273 0.79 KIF11 (0.55) BCHE
SCHEMBL192833 0.78 PARP14 (0.49) TDO2HTR2BHTR5A
SCHEMBL29130508 0.78 TDO2 (0.97) TDO2HTR2BHTR5ABCHEIDO1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107074895-B Pt-or Pd-carbene complexes for use in organic light-emitting diodes UDC 爱尔兰有限责任公司 2020-03-17 — — CN disclosed
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